g16

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MLIP (Machine Learning Interatomic Potential) plugins for Gaussian 16 External interface.

plugin orb mace uma geometry-optimization g16 transition-state machine-learning-interatomic-potential mlip aimnet

Interface to use uma/omol25 NNP with Gaussian, ORCA, or GRRM (and simple optimization script)

Gaussian logfile tools

g09 g16

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